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Name | Substance-K receptor |
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Species | Homo sapiens (Human) |
Gene | TACR2 |
Synonym | NK2 receptor Neurokinin A receptor Tachykinin receptor 2 TAC2R Substance K receptor [ Show all ] |
Disease | Urinary incontinence Pain Unspecified Irritable bowel syndrome with diarrhoea Irritable bowel syndrome [ Show all ] |
Length | 398 |
Amino acid sequence | MGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI |
UniProt | P21452 |
Protein Data Bank | N/A |
GPCR-HGmod model | P21452 |
3D structure model | This predicted structure model is from GPCR-EXP P21452. |
BioLiP | N/A |
Therapeutic Target Database | T52790 |
ChEMBL | CHEMBL2327 |
IUPHAR | 361 |
DrugBank | BE0002222 |
Name | CHEMBL359885 |
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Molecular formula | C25H34N4O3 |
IUPAC name | (2R)-2-[[benzyl(methyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide |
Molecular weight | 438.572 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.4 |
Synonyms | BDBM50159891 (R)-2-(3-Benzyl-3-methyl-ureido)-N-(3-morpholin-4-yl-propyl)-3-phenyl-propionamide |
Inchi Key | ALXVTDNMLPAWDU-HSZRJFAPSA-N |
Inchi ID | InChI=1S/C25H34N4O3/c1-28(20-22-11-6-3-7-12-22)25(31)27-23(19-21-9-4-2-5-10-21)24(30)26-13-8-14-29-15-17-32-18-16-29/h2-7,9-12,23H,8,13-20H2,1H3,(H,26,30)(H,27,31)/t23-/m1/s1 |
PubChem CID | 44391005 |
ChEMBL | CHEMBL359885 |
IUPHAR | N/A |
BindingDB | 50159891 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Ki | 3000.0 nM | PMID15664817 | BindingDB,ChEMBL |
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